4-cyclopropyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C15H19N7O2S MolecularWeight: 361.42206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN(C2=S)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C=NN(C2=S)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C15H19N7O2S/c23-22(24)14-4-3-13(9-16-14)19-7-5-18(6-8-19)11-21-15(25)20(10-17-21)12-1-2-12/h3-4,9-10,12H,1-2,5-8,11H2